General Information of the Compound
Compound ID
CP0320321
Compound Name
1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
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Synonyms
1-(5-((2,4-Difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl) ethanone
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethan-1-one
1-(5-(2,4-difluorophenylthio)-4-nitrothiophen-2-yl)ethanone
1-[5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone
1-[5-(2,4-difluorophenyl)sulfanyl-4-nitro-2-thienyl]ethanone
1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
1-[5-[(2,4-Difluorophenyl)thio]-4-nitro-2-thienyl]-ethanone
1-[5-[(2,4-Difluorophenyl)thio]-4-nitro-2-thienyl]ethanon
1-{5-[(2,4-Difluorophenyl)sulfanyl]-4-nitrothiophen-2-yl}ethan-1-one
1247819-59-5
2624AH
AB0003913
AC-32695
AK313221
AKOS024458186
AS-55923
BCP07858
BDBM50393440
C12H7F2NO3S2
CCG-267643
CHEMBL2159498
CS-1860
DA-46729
DTXSID40677376
EC-000.2542
EX-A1445
FT-0707469
HMS3653G09
HY-13865
J3.502.624J
MFCD22580421
P 22077
P-22077
P22077
QC-8199
SCHEMBL2680945
SW219709-1
Z1646327284
ZINC91696068
s7133
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Structure
Formula
C12H7F2NO3S2
Molecular Weight
315.322
Canonical SMILES
CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O
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InChI
InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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InChIKey
RMAMGGNACJHXHO-UHFFFAOYSA-N
Physicochemical Property
logP
4.2883
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
60.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46931953
SID: 99438769
ChEMBL ID
CHEMBL2159498
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02499, Ubiquitin carboxyl-terminal hydrolase 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4200 nM
2 IC50 = 19330 nM
Clinical Information about the Compound
Drug 1 ( P22077 )
Drug Name P22077
Company Progenra
Indication
Inflammation
Preclinical
Target(s)
Herpesvirus ubiquitin-specific protease (HAUSP)
 Target Info 
Inhibitor